Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7DVX185FLQ

Structure

InChI Key FRIZVHMAECRUBR-UHFFFAOYSA-N
Smile CCOC(=O)c1ncn2c1CN(C)C(=O)c1c(I)cccc1-2
InChI
InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14IN3O3
Molecular Weight 411.2
AlogP 2.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 64.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 1 D012559 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 127985-21-1
ChEMBL CHEMBL2110679
DrugBank DB14971
EPA CompTox DTXSID9048774
FDA SRS 7DVX185FLQ
PubChem 10251042
SureChEMBL SCHEMBL41658
ZINC ZINC000000537863